Targets & Pathways

Explore small molecules, screening libraries, and tool compounds for discovery research. Browse by target, pathway, or ligand family to quickly find inhibitors, agonists, and chemical probes, with searchable structure/CAS data and supporting documents (SDS/COA where available).

136,943 products

Ready-to-screen compound libraries and focused sets for hit discovery. Browse libraries by target class, pathway, scaffold, or application, and review size, format, and compound information to build screening panels.Customize Your Screening Library to choose compounds, format, and volume, and we’ll prepare a ready-to-use set for you.Customize Your Screening Library

Navigate small molecules by ligand family or scaffold to build focused sets and explore structure–activity relationships. This category groups related chemotypes, helping you select analogs, fragments, and tool molecules for discovery research.

ADC-focused building blocks and tools to support antibody–drug conjugate research. Explore payloads, linkers, conjugation reagents, and related small-molecule components (where available) for designing and evaluating ADC constructs.

PROTAC

2,815

PROTAC and targeted protein degradation tools for discovery research. Browse degrader-related ligands, linkers, and building blocks (where available) to assemble or screen PROTAC designs, with clear identifiers for efficient selection.

Explore pathway-focused tool compounds to study and modulate key signaling cascades. Browse small molecules grouped by signaling pathway to support mechanism studies, phenotypic assays, and target validation, with clear identifiers for fast searching.

Find bioactive small molecules organized by protein target (DTO). Quickly locate tool compounds for specific targets and compare identifiers such as structure, CAS, and synonyms—plus supporting documents —to build screening and validation sets.

Shop small molecules and tool compounds organized by disease area (DOID). Discover chemical probes, libraries, and related products mapped to therapeutic areas to help assemble compound sets for screening, pathway exploration, and model studies.

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  1. Epetraborole hydrochloride, Leucine--tRNA ligase inhibitor
    CAS: 1234563-16-6 EC Number: 689-184-7 Formula: C11H17BClNO4 Molecular Weight: 273.52
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: E669779
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    Technical Identifiers
    IUPAC Name
    3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol
    SMILES
    NC[C@H]1OB(O)C2=C1C=CC=C2OCCCO
    InChIKey
    FXQIIDINBDJDKL-SNVBAGLBSA-N
    InChI
    1S/C11H16BNO4/c13-7-10-8-3-1-4-9(16-6-2-5-14)11(8)12(15)17-10/h1,3-4,10,14-15H,2,5-7,13H2/t10-/m1/s1
    Synonyms
    Epetraborole|(3S)-3-(aminomethyl)-7-(3-hydroxypropoxy)-1,3-dihydro-2,1-benzoxaborol-1-ol|(s)-3-aminomethyl-7-(3-hydro...
  2. Cyclohexaneacetic acid, 4-phenyl-, trans-2-[trans-4-phenylcyclohexyl]acetic acid
    CAS: 52092-29-2 EC Number: 826-762-1 PubChem CID: 345877 Formula: C14H18O2 Molecular Weight: 218.29
    ◐ Made to order · 8–12 wks Item #: C669717
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    IUPAC Name
    2-(4-phenylcyclohexyl)acetic acid
    SMILES
    OC(=O)C[C@H]1CC[C@@H](CC1)C2=CC=CC=C2
    InChIKey
    PBYZBGVGPMEGRS-UHFFFAOYSA-N
    InChI
    1S/C14H18O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,15,16)
  3. 3-(2-Methoxyphenyl)-2-methylquinazolin-4(3H)-one
    CAS: 4260-28-0 PubChem CID: 365324 Formula: C16H14N2O2 Molecular Weight: 266.29
    Solid ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: M669737
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    IUPAC Name
    3-(2-methoxyphenyl)-2-methylquinazolin-4-one
    SMILES
    COC1=C(C=CC=C1)N2C(=O)C3C(=CC=CC=3)N=C2C
    InChIKey
    YIEVFKLHPPPUSM-UHFFFAOYSA-N
    InChI
    1S/C16H14N2O2/c1-11-17-13-8-4-3-7-12(13)16(19)18(11)14-9-5-6-10-15(14)20-2/h3-10H,1-2H3
    Synonyms
    3-(2-methoxyphenyl)-2-methyl-3,4-dihydroquinazolin-4-one|3-(2-methoxyphenyl)-2-methylquinazolin-4-one
  4. 3-(1-methyl-1H-indol-3-yl)propan-1-amine
    CAS: 32529-03-6 PubChem CID: 3930315 Formula: C12H16N2 Molecular Weight: 188.27
    ◐ Made to order · 8–12 wks Item #: M669658
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    IUPAC Name
    3-(1-methylindol-3-yl)propan-1-amine
    SMILES
    NCCCC1C2C(=CC=CC=2)N(C)C=1
    InChIKey
    IEYWSXZHBDCUQH-UHFFFAOYSA-N
    InChI
    1S/C12H16N2/c1-14-9-10(5-4-8-13)11-6-2-3-7-12(11)14/h2-3,6-7,9H,4-5,8,13H2,1H3
  5. Encenicline enantiomer
    CAS: 550999-76-3 PubChem CID: 68431081 Formula: C16H18Cl2N2OS Molecular Weight: 357.3
    ◐ Made to order · 8–12 wks Item #: E669804
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    IUPAC Name
    N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloro-1-benzothiophene-2-carboxamide;hydrochloride
    SMILES
    Cl.ClC1=C2SC(=CC2=CC=C1)C(=O)N[C@@H]1CN2CCC1CC2
    InChIKey
    OIJYTJGIDVTCFF-BTQNPOSSSA-N
    InChI
    1S/C16H17ClN2OS.ClH/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19;/h1-3,8,10,13H,4-7,9H2,(H,18,20);1H/t13-;/m1./s1
  6. Ethyl deoxycholate
    CAS: 69519-35-3 PubChem CID: 146159535 Formula: C26H44O4 Molecular Weight: 420.63
    ◐ Made to order · 8–12 wks Item #: E669819
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    IUPAC Name
    ethyl 4-[(10S,13R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
    SMILES
    CCOC(=O)CCC(C)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
    InChIKey
    ZFVNCIMEWULGEX-INWVEICNSA-N
    InChI
    1S/C26H44O4/c1-5-30-24(29)11-6-16(2)20-9-10-21-19-8-7-17-14-18(27)12-13-25(17,3)22(19)15-23(28)26(20,21)4/h16-23,27-28H,5-15H2,1-4H3/t16?,17?,18?,19?,show more
  7. Cyclohexaneacetic acid, 4-phenyl-, cis-2-[cis-4-phenylcyclohexyl]acetic acid
    CAS: 148962-93-0 EC Number: 826-762-1 PubChem CID: 345877 Formula: C14H18O2 Molecular Weight: 218.29
    ◐ Made to order · 8–12 wks Item #: C669712
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    Technical Identifiers
    IUPAC Name
    2-(4-phenylcyclohexyl)acetic acid
    SMILES
    OC(=O)C[C@@H]1CC[C@@H](CC1)C2=CC=CC=C2
    InChIKey
    PBYZBGVGPMEGRS-UHFFFAOYSA-N
    InChI
    1S/C14H18O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,15,16)
  8. Ethyl glycodeoxycholate
    CAS: 70779-06-5 Formula: C28H47NO5
    ◐ Made to order · 8–12 wks Item #: E669825
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    Technical Identifiers
    SMILES
    CCOC(=O)CNC(=O)CC[C@@H](C)[C@]1([H])[C@]2(C)[C@](CC1)([H])[C@@]3([H])[C@@](C[C@@H]2O)([H])[C@]4(C)[C@](C[C@H](O)CC4)([H])CC3
  9. Cyclohexanecarboxylic acid, 4-(phenylmethoxy)-, methyl ester, trans-methyl trans-4-(benzyloxy)cyclohexane-1-carboxylate
    CAS: 1417317-26-0 Formula: C15H20O3 Molecular Weight: 248.32
    ◐ Made to order · 8–12 wks Item #: C669713
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    IUPAC Name
    methyl 4-phenylmethoxycyclohexane-1-carboxylate
    SMILES
    COC(=O)[C@H]1CC[C@H](OCC2=CC=CC=C2)CC1
    InChIKey
    QORLPNCJJITLOL-UHFFFAOYSA-N
    InChI
    1S/C15H20O3/c1-17-15(16)13-7-9-14(10-8-13)18-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
  10. 3-(3-butyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)propanoic acid
    CAS: 743442-01-5 PubChem CID: 3745860 Formula: C17H26N4O4 Molecular Weight: 350.4
    ◐ Made to order · 8–12 wks Item #: B669653
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    Technical Identifiers
    IUPAC Name
    3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanoic acid
    SMILES
    CCCCCN1C2=C(N=C1CCC(O)=O)N(CCCC)C(=O)NC2=O
    InChIKey
    PTQBZCHWXIGRJD-UHFFFAOYSA-N
    InChI
    1S/C17H26N4O4/c1-3-5-7-11-20-12(8-9-13(22)23)18-15-14(20)16(24)19-17(25)21(15)10-6-4-2/h3-11H2,1-2H3,(H,22,23)(H,19,24,25)
  11. Cyclohexanecarboxylic acid, 4-(dimethylamino)-, methyl ester, trans-methyl trans-4-(dimethylamino)cyclohexane-1-carboxylate
    CAS: 609805-43-8 Formula: C10H19NO2 Molecular Weight: 185.26
    ◐ Made to order · 8–12 wks Item #: C669723
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    Technical Identifiers
    IUPAC Name
    methyl 4-(dimethylamino)cyclohexane-1-carboxylate
    SMILES
    COC(=O)[C@@H]1CC[C@@H](N(C)C)CC1
    InChIKey
    SPDWTBISSKZSDQ-UHFFFAOYSA-N
    InChI
    1S/C10H19NO2/c1-11(2)9-6-4-8(5-7-9)10(12)13-3/h8-9H,4-7H2,1-3H3
  12. Sulindac Sulfone
    CAS: 59973-80-7 Formula: C20H17FO4S Molecular Weight: 372.41
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥96%
    ◐ Made to order · 8–12 wks Item #: E669628
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    IUPAC Name
    2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid
    SMILES
    CC1=C(CC(O)=O)C2=C(C=CC(F)=C2)\C1=C/C1=CC=C(C=C1)S(C)(=O)=O
    InChIKey
    MVGSNCBCUWPVDA-MFOYZWKCSA-N
    InChI
    1S/C20H17FO4S/c1-12-17(9-13-3-6-15(7-4-13)26(2,24)25)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
    Synonyms
    Exisulind|Sulindac EP Impurity B|SULINDAC SULFONE|2-[(3Z)-6-Fluoro-2-Methyl-3-[(4-Methylsulfonylphenyl)Methylene]Inde...
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Frequently Asked Questions

What does the By Target/Pathway/Disease listing cover?
It groups compounds associated with targets in By Target/Pathway/Disease, organised so you can move from the pathway to an individual target and then to a specific chemotype. Each entry carries structure, CAS number, and reported activity.
How is By Target/Pathway/Disease organised?
By Target/Pathway/Disease is broken down into Compound Libraries, PROTACs, molecular glues and other degraders and Antibody-drug Conjugates(ADC). Compounds acting on more than one node appear under each relevant target.
How do I choose compounds for By Target/Pathway/Disease research?
For By Target/Pathway/Disease, pick a well-characterised reference compound for the node you want to perturb, and pair it with a structurally unrelated compound hitting the same target — that is the cleanest way to separate pathway effects from off-target ones. Check potency, selectivity, and cell permeability against your assay format. All products are supplied for professional research and development use only, and are not for use in humans, animals, diagnostics, or therapy.
How do I find a specific compound within By Target/Pathway/Disease?
Search By Target/Pathway/Disease by compound name, CAS number, or SMILES, or drill down through the target listing. Unlisted compounds and bulk quantities: [email protected]. We supply verified businesses, research institutions, universities, and government agencies.

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